SCHEMBL12399049

SCHEMBL12399049

CC(=O)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.47
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MAOB P27338 7/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
MAOA P21397 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CXCR2 P25025 1/20 0.37
PTPN1 P18031 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9966129 0.88 STS (0.50) STSCA12CA9CA1CA2
SCHEMBL13183465 0.88 KMT2A (0.39) STSCA1CA2MEN1KMT2A
SCHEMBL26452047 0.86 CXCR2 (0.36) STSCA1CA2MEN1KMT2A
SCHEMBL10204338 0.84 HDAC3 (0.36) STSMAPK1SMN1; SMN2CXCR2PTPN1
SCHEMBL17831810 0.84 ELANE (0.40) CA9CA1CA2KMT2AMAPT
SCHEMBL13183470 0.83 CA1 (0.41) CA9CA1CA2MAPK1SMN1; SMN2
SCHEMBL26452260 0.82 CXCR2 (0.34) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL18499620 0.81 SMN1; SMN2 (0.44) CA12CA9CA1CA2MEN1
SCHEMBL12040232 0.81 CXCR2 (0.36) STSMAPK1CXCR2PTPN1GAA
SCHEMBL12040250 0.81 STS (0.38) STSMAPK1CXCR2PTPN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183263-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2011-07-28 US disclosed